SCHEMBL8696934

SCHEMBL8696934

Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)C(Cc3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 2/20 0.50
CHIT1 Q13231 2/20 0.49
CHIA Q9BZP6 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MMP2 P08253 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8192516 0.80 GAA (0.55) MEN1KMT2AGAACA1CA2
SCHEMBL5252849 0.79 SMN1; SMN2 (0.65) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL5915301 0.76 MMP14 (0.54) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8567524 0.75 SLC6A2 (0.47) CA1CA2CA4CA9ALDH1A1
SCHEMBL588395 0.73 DRD4 (0.56) ALDH1A1
SCHEMBL588988 0.73 DRD4 (0.56) ALDH1A1
SCHEMBL3832918 0.72 NPSR1 (0.55) GAACA1CA2CA4CA9
SCHEMBL3832921 0.72 NPSR1 (0.55) GAACA1CA2CA4CA9
SCHEMBL5556846 0.72 GAA (0.52) MEN1KMT2AGAAPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL587710 0.72 DRD4 (0.55) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed